(2R)-2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[3,4-bis(fluoranyl)phenyl]propan-1-one

Systemtic Name: (2R)-2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[3,4-bis(fluoranyl)phenyl]propan-1-one Openeye Name: (2R)-2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-difluorophenyl)propan-1-one CAS Name: (2R)-2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(3,4-difluorophenyl)-1-propanone IUPAC Name: (2R)-2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-difluorophenyl)propan-1-one Traditional Name: (2R)-2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-difluorophenyl)propan-1-one Formula: C16H13F2N5OS MolecularWeight: 361.369126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)F)F)SC2=NN=C(N2N)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)C1=CC(=C(C=C1)F)F)SC2=NN=C(N2N)C3=CC=NC=C3

InChI

InChI=1S/C16H13F2N5OS/c1-9(14(24)11-2-3-12(17)13(18)8-11)25-16-22-21-15(23(16)19)10-4-6-20-7-5-10/h2-9H,19H2,1H3/t9-/m1/s1